2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid

C16H20ClNO4 — CID 120515342

IUPAC2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid
SMILESCCOc1cc(Cl)ccc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H20ClNO4/c1-2-22-14-10-12(17)3-4-13(14)16(21)18-7-5-11(6-8-18)9-15(19)20/h3-4,10-11H,2,5-9H2,1H3,(H,19,20)
InChIKeyKRPPMILDEFQNJX-UHFFFAOYSA-N
MW325.79 g/mol
LogP3.07
Rot. Bonds5

About 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid

2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid (PubChem CID 120515342) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid
PubChem CID120515342
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Name2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid
SMILESCCOc1cc(Cl)ccc1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C16H20ClNO4/c1-2-22-14-10-12(17)3-4-13(14)16(21)18-7-5-11(6-8-18)9-15(19)20/h3-4,10-11H,2,5-9H2,1H3,(H,19,20)
InChIKeyKRPPMILDEFQNJX-UHFFFAOYSA-N
XLogP3.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]acetic acid
CID 78980399
2-[1-(2-fluoro-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 103628835
2-[1-(2-bromo-4-methoxybenzoyl)piperidin-4-yl]acetic acid
CID 154836645
(2,5-dichlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551581
2-[1-(2-chloro-4,5-difluorobenzoyl)piperidin-4-yl]acetic acid
CID 78979755
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-[2-(3,4-diethoxyphenyl)-2-methylpropanoyl]piperidin-4-yl]acetic acid
CID 120684699
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812
acetic acid;[2-(3-aminopropoxy)-4-chlorophenyl]-pyrrolidin-1-ylmethanone
CID 154906698
(4-chloro-2-methoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263315
1-(4-chloro-2-ethoxybenzoyl)-3-hydroxypiperidine-3-carboxamide
CID 128988899

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid (CID 120515342) is 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid is CCOc1cc(Cl)ccc1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid?
The InChIKey is KRPPMILDEFQNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-2-22-14-10-12(17)3-4-13(14)16(21)18-7-5-11(6-8-18)9-15(19)20/h3-4,10-11H,2,5-9H2,1H3,(H,19,20).
What are the key properties of 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid?
2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid has a molecular weight of 325.79 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-ethoxybenzoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 120515342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).